bromo phosphono hydrogen phosphate

H3BrO7P2 — CID 129216987

IUPACbromo phosphono hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)OBr
InChIInChI=1S/BrH3O7P2/c1-7-10(5,6)8-9(2,3)4/h(H,5,6)(H2,2,3,4)
InChIKeyDRRYFHHKCDJXHJ-UHFFFAOYSA-N
MW256.87 g/mol
LogP0.52
Rot. Bonds3

About bromo phosphono hydrogen phosphate

bromo phosphono hydrogen phosphate (PubChem CID 129216987) has the molecular formula H3BrO7P2 and a molecular weight of 256.87 g/mol. Its IUPAC name is bromo phosphono hydrogen phosphate.

Molecular Properties

Compound Namebromo phosphono hydrogen phosphate
PubChem CID129216987
Molecular FormulaH3BrO7P2
Molecular Weight256.87 g/mol
Exact Mass255.85
IUPAC Namebromo phosphono hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)OBr
InChIInChI=1S/BrH3O7P2/c1-7-10(5,6)8-9(2,3)4/h(H,5,6)(H2,2,3,4)
InChIKeyDRRYFHHKCDJXHJ-UHFFFAOYSA-N
XLogP0.52
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.87
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bromo [hydroperoxy(hydroxy)phosphoryl] hydrogen phosphate
CID 173006116
[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 10212960
hexapotassium bis(diphosphono hydrogen phosphate)
CID 170923258
CID 170843855
CID 170843855
disodium;diphosphono hydrogen phosphate;hydride
CID 174474348
alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 174679314
distrontium;diphosphono hydrogen phosphate;hydride
CID 174664429
CID 131848730
CID 131848730
tetrakis([hydroxy(phosphonooxy)phosphoryl]oxy-phosphanylphosphinic acid);platinum
CID 159716493
barium(2+);diphosphono hydrogen phosphate;hydride;titanium
CID 174660912
strontium;diphosphono hydrogen phosphate;hydride;indigane
CID 175142394
sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate
CID 174910527

Frequently Asked Questions

What is the IUPAC name of bromo phosphono hydrogen phosphate?
The IUPAC name of bromo phosphono hydrogen phosphate (CID 129216987) is bromo phosphono hydrogen phosphate.
What is the SMILES notation for bromo phosphono hydrogen phosphate?
The canonical SMILES for bromo phosphono hydrogen phosphate is O=P(O)(O)OP(=O)(O)OBr.
What is the InChIKey of bromo phosphono hydrogen phosphate?
The InChIKey is DRRYFHHKCDJXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/BrH3O7P2/c1-7-10(5,6)8-9(2,3)4/h(H,5,6)(H2,2,3,4).
What are the key properties of bromo phosphono hydrogen phosphate?
bromo phosphono hydrogen phosphate has a molecular weight of 256.87 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bromo phosphono hydrogen phosphate is sourced from PubChem (CID 129216987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).